3-ethoxy-2-ethyl-2-methyl-N-(3-methylbut-2-enyl)cyclobutan-1-amine

C14H27NO — CID 106180794

IUPAC3-ethoxy-2-ethyl-2-methyl-N-(3-methylbut-2-enyl)cyclobutan-1-amine
SMILESCCOC1CC(NCC=C(C)C)C1(C)CC
InChIInChI=1S/C14H27NO/c1-6-14(5)12(10-13(14)16-7-2)15-9-8-11(3)4/h8,12-13,15H,6-7,9-10H2,1-5H3
InChIKeyRDAKMECQPAMSNG-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.14
Rot. Bonds6

About 3-ethoxy-2-ethyl-2-methyl-N-(3-methylbut-2-enyl)cyclobutan-1-amine

3-ethoxy-2-ethyl-2-methyl-N-(3-methylbut-2-enyl)cyclobutan-1-amine (PubChem CID 106180794) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 3-ethoxy-2-ethyl-2-methyl-N-(3-methylbut-2-enyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-2-ethyl-2-methyl-N-(3-methylbut-2-enyl)cyclobutan-1-amine
PubChem CID106180794
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name3-ethoxy-2-ethyl-2-methyl-N-(3-methylbut-2-enyl)cyclobutan-1-amine
SMILESCCOC1CC(NCC=C(C)C)C1(C)CC
InChIInChI=1S/C14H27NO/c1-6-14(5)12(10-13(14)16-7-2)15-9-8-11(3)4/h8,12-13,15H,6-7,9-10H2,1-5H3
InChIKeyRDAKMECQPAMSNG-UHFFFAOYSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-ethoxy-2-ethyl-2-methyl-N-(3-methylbut-2-enyl)cyclobutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethoxy-2-ethyl-2-methyl-N-(2-methylpropyl)cyclobutan-1-amine
CID 65170309
N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)hydroxylamine
CID 82685490
3-ethoxy-N-(2-ethoxyethyl)-2-ethyl-2-methylcyclobutan-1-amine
CID 65167908
N-but-3-ynyl-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine
CID 65169189
1-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]pentan-3-ol
CID 113497546
1-[[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 65169776
3-ethoxy-2-ethyl-2-methyl-N-(3-methylsulfinylpropyl)cyclobutan-1-amine
CID 113487325
2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]ethyl carbamate
CID 83210264
2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]propane-1,3-diol
CID 65315597
4-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]-1-methoxybutan-2-ol
CID 106245384
N-(2-butoxyethyl)-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine
CID 65168217
3-ethoxy-2-ethyl-2-methyl-N-(2,2,3,3-tetrafluoropropyl)cyclobutan-1-amine
CID 106289842

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-ethyl-2-methyl-N-(3-methylbut-2-enyl)cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-2-ethyl-2-methyl-N-(3-methylbut-2-enyl)cyclobutan-1-amine (CID 106180794) is 3-ethoxy-2-ethyl-2-methyl-N-(3-methylbut-2-enyl)cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-2-ethyl-2-methyl-N-(3-methylbut-2-enyl)cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-2-ethyl-2-methyl-N-(3-methylbut-2-enyl)cyclobutan-1-amine is CCOC1CC(NCC=C(C)C)C1(C)CC.
What is the InChIKey of 3-ethoxy-2-ethyl-2-methyl-N-(3-methylbut-2-enyl)cyclobutan-1-amine?
The InChIKey is RDAKMECQPAMSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-6-14(5)12(10-13(14)16-7-2)15-9-8-11(3)4/h8,12-13,15H,6-7,9-10H2,1-5H3.
What are the key properties of 3-ethoxy-2-ethyl-2-methyl-N-(3-methylbut-2-enyl)cyclobutan-1-amine?
3-ethoxy-2-ethyl-2-methyl-N-(3-methylbut-2-enyl)cyclobutan-1-amine has a molecular weight of 225.38 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-ethyl-2-methyl-N-(3-methylbut-2-enyl)cyclobutan-1-amine is sourced from PubChem (CID 106180794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).